Molecular Interactions of Indoor Smoke Components with the Tear Film Lipid Layer

Changcheng Gao published a dataset on figshare in April 2026 detailing atomistic simulations of the tear film lipid layer. The data quantifies interactions with six priority indoor smoke constituents, covering a spectrum from polycyclic aromatics to glycerol. It provides quantitative thresholds for classifying ocular hazard and proposes a predictive phase diagram for smoke component effects.

Use Cases

• Predicting trans-tear film permeability of airborne chemicals based on hydrophobicity (log P).
• Modeling the mechanical impact of polar smoke agglomerates on film compressibility and rupture.
• Classifying indoor smoke components as ocular hazards using the proposed three-variable phase diagram.
• Informing the design of pollutant-scavenging artificial tears based on molecular interaction data.

Strengths

• Dataset size is 35.6 MB, indicating a contained, downloadable package.
• Includes six priority indoor smoke constituents covering a full hydrophobicity spectrum.
• Provides quantitative permeability differences spanning 3–4 orders of magnitude.
• Proposes a concrete phase diagram for predicting component effects on the tear film.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Data is from a single computational modeling study, which may limit generalizability.

Provenance

Source

Changcheng Gao via figshare.

Collection Method

Constructed from atomistic molecular modeling and simulation.

Freshness

Last updated 2026-04-20 21:45:00; freshness should be verified.